General Information of the Compound
Compound ID
CP0525395
Compound Name
2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
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Structure
Formula
C16H22N4O
Molecular Weight
286.379
Canonical SMILES
C1CCN(CC1)C1CCN(CC1)c1nc2ncccc2o1
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InChI
InChI=1S/C16H22N4O/c1-2-9-19(10-3-1)13-6-11-20(12-7-13)16-18-15-14(21-16)5-4-8-17-15/h4-5,8,13H,1-3,6-7,9-12H2
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InChIKey
KBTIIRRRLNQBTC-UHFFFAOYSA-N
Physicochemical Property
logP
2.6775
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
45.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46244628
SID: 96106653
ChEMBL ID
CHEMBL1958179
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1200 nM
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